SCHEMBL22702190

SCHEMBL22702190

CC(C)/C(N)=C/NC1CC(C)(C)NC(C)(C)C1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.39
GAA P10253 3/20 0.36
KMT2A Q03164 4/20 0.35
POLB P06746 2/20 0.34
TSHR P16473 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.33
HTT P42858 1/20 0.33
MEN1 O00255 2/20 0.32
ALDH1A1 P00352 3/20 0.31
LMNA P02545 3/20 0.31
MAPT P10636 2/20 0.31
PKM P14618 1/20 0.31
ALOX15 P16050 1/20 0.31
ALOX12 P18054 1/20 0.31
RAD52 P43351 1/20 0.31
GFER P55789 1/20 0.31
CYP2C9 P11712 1/20 0.31
EZH2 Q15910 1/20 0.31
KDM1A O60341 1/20 0.30
KDM4E B2RXH2 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL22702079 0.76 GAA (0.39) RECQLGAAKMT2APOLBL3MBTL1
SCHEMBL22702026 0.72 ADH1B (0.38) HTTALDH1A1CYP2C9
SCHEMBL22702024 0.71 EPHX1 (0.35) POLB
SCHEMBL11528816 0.71 RECQL (0.41) RECQLGAAKMT2APOLBL3MBTL1
SCHEMBL11531594 0.70 POLB (0.40) RECQLGAAKMT2APOLBL3MBTL1
SCHEMBL11533251 0.68 L3MBTL1 (0.40) RECQLGAAKMT2APOLBTSHR
SCHEMBL3040960 0.67 ADH1B (0.44) RECQLGAAKMT2APOLBTSHR
SCHEMBL15298632 0.66 RECQL (0.41) RECQLGAAKMT2APOLBTSHR
SCHEMBL2901200 0.65 RECQL (0.52) RECQLGAAKMT2APOLBTSHR
SCHEMBL11214822 0.65 RECQL (0.44) RECQLGAAKMT2APOLBTSHR

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3319955-B1 6-AMINO-QUINOLINE-3-CARBONITRILS AS COT MODULATORS GILEAD SCIENCES INC (US) 2020-11-25 EP disclosed